Geometry & MOs

Info

ID:	257545
PubChem CID:	103146937
Reduced:	F3O3C14H15 (1)
Stoich.:	A3B3C14D15 (1)
Weight, g/mol:	314.00882
ΔH_f, kcal/mol:	-238.58
Dipole, Da:	5.2
IP(EA), eV:	-9.34(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,5-dichlorophenyl)-4-(2,2,2-trifluoroethoxy)butan-2-one

Drug info:

PubChemData

Smile

C1CC1OC2=CC=C(C=C2)C(=O)CCOCC(F)(F)F

DOS

IR

Vibrations